Molecule card · MolClass #41824

864183

864183: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 864183Mitochondrial Fusion · compound_name
MolClass ID: 41824
InChIKey: LSGCURXUUXADFZ-UHFFFAOYSA-N
Canonical SMILES: O=C(c1ccc(cc1)Cl)C4C5C(=O)N(c2ccccc2)C(=O)C5(C3CCCN34)
Standard InChI: InChI=1S/C22H19ClN2O3/c23-14-10-8-13(9-11-14)20(26)19-18-17(16-7-4-12-24(16)19)21(27)25(22(18)28)15-5-2-1-3-6-15/h1-3,5-6,8-11,16-19H,4,7,12H2
Stored Murcko scaffold: c1ccc(cc1)[CH]C2N3CCCC3C4[CH]N([CH]C24)c5ccccc5

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

860883#41858
864341#44815
864545#47447

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 394.852 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.75; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 864183